| Back to the main page of this manual | Input reference of CP2K version 9.1 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
XC /
XC_FUNCTIONAL /
HYB_GGA_X_S12H&HYB_GGA_X_S12H {Logical} |
|
| Activates the functional. | |
| This keyword cannot be repeated and it expects precisely one logical. | |
The lone keyword behaves as a switch to
.TRUE. |
|
Default value:
.FALSE. |
SCALE {Real} |
|
| Scales this functional | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.00000000E+000 |
_A {Real} |
|
| A parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
1.02543951E+000 |
_ALPHA {Real} |
|
| Fraction of exact exchange | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.50000000E-001 |
_B {Real} |
|
| B parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.31560490E-001 |
_C {Real} |
|
| C parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
7.61554000E-003 |
_D {Real} |
|
| D parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
2.11063000E-003 |
_E {Real} |
|
| E parameter | |
| This keyword cannot be repeated and it expects precisely one real. | |
Default value:
6.04672000E-003 |
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